Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 4/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.35 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.35 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29581919 | 0.75 | AR (0.46) | AREPAS1SLC22A12USP30 | |
| SCHEMBL29851244 | 0.75 | AR (0.48) | ARUSP30TBXA2R | |
| SCHEMBL8616842 | 0.75 | AR (0.48) | ARUSP30TBXA2R | |
| SCHEMBL8544623 | 0.74 | AR (0.54) | HTR2AKCNH2SLC6A4AREPAS1 | |
| SCHEMBL2989414 | 0.73 | SLC6A4 (0.38) | KCNH2SLC6A4AREPAS1SLC22A12 | |
| SCHEMBL8754808 | 0.72 | AR (0.49) | HTR2AKCNH2SLC6A4ARTBXA2R | |
| SCHEMBL8616839 | 0.72 | AR (0.48) | HTR2AKCNH2SLC6A4ARSLC22A12 | |
| SCHEMBL29255047 | 0.72 | AR (0.48) | HTR2AKCNH2SLC6A4ARSLC22A12 | |
| SCHEMBL28671160 | 0.72 | AR (0.48) | HTR2AKCNH2SLC6A4ARSLC22A12 | |
| SCHEMBL9644087 | 0.72 | AR (0.59) | HTR2AKCNH2SLC6A4ARSLC22A12 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3246034-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | Anacor Pharmaceuticals, Inc. (US) | 2017-11-22 | — | — | EP | disclosed |